Information card for entry 4319940

Structure parameters

• Formula: C66 H48 Br Cr N18 O8 Ru2
• Calculated formula: C66 H48 Br Cr N18 O8 Ru2
• SMILES: [Cr](C#N)(C#N)(C#N)(C#N)(C#N)C#N.[Ru]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[Ru]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[Br-].O.O.O.O.O.O.O.O.O
• Title of publication: Energy-Transfer Rate in Crystals of Double-Complex Salts Composed of [Ru(N-N)3]2+ (N-N = 2,2'-Bipyridine or 1,10-Phenanthroline) and [Cr(CN)6]3-: Effect of Relative Orientation between Donor and Acceptor
• Authors of publication: Takuhiro Otsuka; Akiko Sekine; Naoki Fujigasaki; Yuji Ohashi; Youkoh Kaizu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3406 - 3412
• a: 22.414 ± 0.003 Å
• b: 13.814 ± 0.004 Å
• c: 22.299 ± 0.004 Å
• α: 90°
• β: 90.531 ± 0.013°
• γ: 90°
• Cell volume: 6904 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1691
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections: 0.1298
• Weighted residual factors for significantly intense reflections: 0.0942
• Goodness-of-fit parameter for all reflections: 0.963
• Goodness-of-fit parameter for significantly intense reflections: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No